1-[[4-cyano-1-(4-methoxyphenyl)-2,5-dihydropyrrol-3-yl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[4-cyano-1-(4-methoxyphenyl)-2,5-dihydropyrrol-3-yl]amino]-3-phenyl-thiourea Openeye Name: 1-[[4-cyano-1-(4-methoxyphenyl)-2,5-dihydropyrrol-3-yl]amino]-3-phenyl-thiourea CAS Name: 1-[[4-cyano-1-(4-methoxyphenyl)-2,5-dihydropyrrol-3-yl]amino]-3-phenylthiourea IUPAC Name: 1-[[4-cyano-1-(4-methoxyphenyl)-2,5-dihydropyrrol-3-yl]amino]-3-phenylthiourea Traditional Name: 1-[[4-cyano-1-(4-methoxyphenyl)-3-pyrrolin-3-yl]amino]-3-phenyl-thiourea Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(=C(C2)NNC(=S)NC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(=C(C2)NNC(=S)NC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H19N5OS/c1-25-17-9-7-16(8-10-17)24-12-14(11-20)18(13-24)22-23-19(26)21-15-5-3-2-4-6-15/h2-10,22H,12-13H2,1H3,(H2,21,23,26)